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一种新型聚丙烯酸高吸水性树脂的合成、表征、对某些重金属离子的吸附、吸附等温线及量子化学研究

Synthesis, Characterization of a New Polyacrylic Acid Superabsorbent, Some Heavy Metal Ion Sorption, the Adsorption Isotherms, and Quantum Chemical Investigation.

作者信息

Savaskan Yilmaz Sevil, Yildirim Nuri, Misir Murat, Misirlioglu Yasin, Celik Emre

机构信息

Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, University Avanue, 61080 Trabzon, Turkey.

Faculty of Engineering and Architecture, Ahi Evran University, 40100 Kırşehir, Turkey.

出版信息

Materials (Basel). 2020 Oct 1;13(19):4390. doi: 10.3390/ma13194390.

DOI:10.3390/ma13194390
PMID:33019755
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7579146/
Abstract

Poly(acrylic acid/Kryptofix 23-Dimethacrylate) superabsorbent polymer [P (AA/Kry23-DM) SAP] was synthesized by solution polymerization to remove Co, Ni, Cu, Cd, Mn, Zn, Pb, Cr, and Fe ions in water and improve the quality of the water. Kry23-DM cross-linker (1,4,7,13,16-Pentaoxa-10,19 diazo cyclohexene icosane di methacrylate) was synthesized using Kry23 and methacryloyl chloride. The characterization of the molecules was done by FTIR, TGA, DSC, and SEM techniques. The effects of parameters such as pH, concentration, and the metal ion interaction on the heavy metal ions uptaking of SAP was investigated. It was observed that P (AA/Kry23-DM) SAP has maximum water absorption, and the absorption increases with the pH increase. Adsorption rates and sorption capacity, desorption ratios, competitive sorption (q), and distribution coefficient (log D) of P(AA/Kry23-DM) SAP were studied as a function of time and pH with the heavy metal ion concentration. Langmuir and Freundlich isotherms of the P (AA/Kry23-DM) SAP were investigated to verify the metal uptake. Molecular mechanic (MM2), Assisted Model Building with Energy Refinement (AMBER), and optimized potentials for liquid simulations (OPLS) methods. were used in quantum chemical calculations for the conformational analysis of the cross-linker and the SAP. ΔH calculations of the cross-linker and the superabsorbent were made using Austin Model 1(AM1) method.

摘要

通过溶液聚合合成了聚（丙烯酸/冠醚固定剂23 - 二甲基丙烯酸酯）高吸水性聚合物[P(AA/Kry23 - DM) SAP]，用于去除水中的钴、镍、铜、镉、锰、锌、铅、铬和铁离子，改善水质。使用冠醚固定剂23和甲基丙烯酰氯合成了冠醚固定剂23 - 二甲基丙烯酸酯交联剂（1,4,7,13,16 - 五氧杂 - 10,19 - 二氮杂环己二十烷二甲基丙烯酸酯）。通过傅里叶变换红外光谱（FTIR）、热重分析（TGA）、差示扫描量热法（DSC）和扫描电子显微镜（SEM）技术对分子进行了表征。研究了pH值、浓度和金属离子相互作用等参数对高吸水性聚合物吸附重金属离子的影响。观察到P(AA/Kry23 - DM) SAP具有最大吸水量，且吸水量随pH值升高而增加。研究了P(AA/Kry23 - DM) SAP的吸附速率、吸附容量、解吸率、竞争吸附（q）和分配系数（log D）随时间、pH值和重金属离子浓度的变化。研究了P(AA/Kry23 - DM) SAP的朗缪尔等温线和弗伦德利希等温线，以验证其对金属的吸附。采用分子力学（MM2）、能量精修辅助模型构建（AMBER）和液体模拟优化势（OPLS）方法对交联剂和高吸水性聚合物进行量子化学计算，以进行构象分析。使用奥斯汀模型1（AM1）方法对交联剂和高吸水性聚合物进行了ΔH计算。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/efd0/7579146/c752eb4966fb/materials-13-04390-g013.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/efd0/7579146/6a9e12c47be9/materials-13-04390-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/efd0/7579146/989603290854/materials-13-04390-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/efd0/7579146/32d3ab5b6783/materials-13-04390-g009.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/efd0/7579146/c752eb4966fb/materials-13-04390-g013.jpg

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